2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine

C44H34N2 — CID 20733869

IUPAC2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2c2ccc(N(c4ccccc4)c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C44H34N2/c1-31-17-21-35(22-18-31)45(33-11-5-3-6-12-33)37-25-27-41-39-15-9-10-16-40(39)43-29-38(26-28-42(43)44(41)30-37)46(34-13-7-4-8-14-34)36-23-19-32(2)20-24-36/h3-30H,1-2H3
InChIKeyCXIWUSKQYZOSOI-UHFFFAOYSA-N
MW590.77 g/mol
LogP12.70
Rot. Bonds6

About 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine

2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine (PubChem CID 20733869) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
PubChem CID20733869
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2c2ccc(N(c4ccccc4)c4ccc(C)cc4)cc23)cc1
InChIInChI=1S/C44H34N2/c1-31-17-21-35(22-18-31)45(33-11-5-3-6-12-33)37-25-27-41-39-15-9-10-16-40(39)43-29-38(26-28-42(43)44(41)30-37)46(34-13-7-4-8-14-34)36-23-19-32(2)20-24-36/h3-30H,1-2H3
InChIKeyCXIWUSKQYZOSOI-UHFFFAOYSA-N
XLogP12.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
8-N,8-N,22-N,22-N-tetrakis(4-methylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene-8,22-diamine
CID 58309470
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
5-N,18-N-bis(4-methylphenyl)-5-N,18-N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260427
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dimethyl-2-N-(4-methylphenyl)-7-N-phenylphenanthrene-2,7-diamine
CID 144657375
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine (CID 20733869) is 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2c2ccc(N(c4ccccc4)c4ccc(C)cc4)cc23)cc1.
What is the InChIKey of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine?
The InChIKey is CXIWUSKQYZOSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-31-17-21-35(22-18-31)45(33-11-5-3-6-12-33)37-25-27-41-39-15-9-10-16-40(39)43-29-38(26-28-42(43)44(41)30-37)46(34-13-7-4-8-14-34)36-23-19-32(2)20-24-36/h3-30H,1-2H3.
What are the key properties of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine?
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine has a molecular weight of 590.77 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine is sourced from PubChem (CID 20733869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).